N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H13ClN4O2S — CID 51336428

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 51336428) has the molecular formula C19H13ClN4O2S and a molecular weight of 396.86 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• PubChem CID: 51336428
• Molecular Formula: C19H13ClN4O2S
• Molecular Weight: 396.86 g/mol
• Exact Mass: 396.04
• IUPAC Name: N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cnc2ccccn2c1=O
• InChI: InChI=1S/C19H13ClN4O2S/c20-13-5-3-4-12(8-13)9-14-10-22-19(27-14)23-17(25)15-11-21-16-6-1-2-7-24(16)18(15)26/h1-8,10-11H,9H2,(H,22,23,25)
• InChIKey: XJOTVSLIRFCWAI-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 76.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.86
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 51336428) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cnc2ccccn2c1=O.

What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The InChIKey is XJOTVSLIRFCWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2S/c20-13-5-3-4-12(8-13)9-14-10-22-19(27-14)23-17(25)15-11-21-16-6-1-2-7-24(16)18(15)26/h1-8,10-11H,9H2,(H,22,23,25).

What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 396.86 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51336428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).